Geometry & MOs

Info

ID:	388086
PubChem CID:	134988111
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-165.69
Dipole, Da:	3.81
IP(EA), eV:	-9.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxypiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)[15NH]C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations